Geometry & MOs

Info

ID:	438645
PubChem CID:	135228389
Reduced:	N5O6C23H33 (1)
Stoich.:	A5B6C23D33 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-260.1
Dipole, Da:	3.01
IP(EA), eV:	-8.5(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-3-oxopentan-2-yl)-3-[1-(2-oxopropyl)triazol-4-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCNC(=O)NC)C(=O)O

DOS

IR

Vibrations